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Molecule record

Ibuprofen

C13H18O2

206.28 g/mol

Show IUPAC name

IUPAC name

2-(4-isobutylphenyl)propanoic acid

2D structure for Ibuprofen

Molecular properties

Formula
C13H18O2
Molar mass
206.28 g·mol−1
Exact mass
206.1307 Da
5
1
2
37.30 Ų
3.5 (PubChem computed XLogP3-AA descriptor)
CAS
58560-75-1
PubChem CID
3672

Interactions

Polarity
Often polar; exact polarity depends on size, substitution, and ionization state.
Acid-base behavior
Review ionizable groups and pKa data where available; ChemForge does not infer definitive acid-base state from identity alone.
Intermolecular forces
Assess dispersion, dipole interactions, hydrogen bonding, and ionic character from the functional groups shown.

Functional groups

Alcohol
Alkene
Aromatic ring
Carboxylic acid
Phenol

Physical properties

PropertyValueConditionsSource
Logp3.5PubChem computed XLogP3-AA descriptorPubChem(link only)

Common names and synonyms

  • 15687-27-1
  • 2-[4-(2-methylpropyl)phenyl]propanoic acid
  • 58560-75-1
  • Advil
  • Andran
  • Anflagen
  • Brufanic
  • Brufen
Show all 22 synonyms
  • Buburone
  • Butylenin
  • Dolgit
  • Ebufac
  • IBUPROFEN, (+-)-
  • Ibumetin
  • Ibuprocin
  • Lamidon
  • Liptan
  • Medipren
  • Motrin
  • Nuprin
  • Nurofen
  • RefChem:6648

Structure identifiers

Canonical SMILES
CC(C)CC1=CC=C(C=C1)C(C)C(=O)O
Isomeric SMILES
CC(C)CC1=CC=C(C=C1)C(C)C(=O)O
InChI
InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)
InChIKey
HEFNNWSXXWATRW-UHFFFAOYSA-N
PubChem CID
3672

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library

IR spectrum

ChemArche Original Educational Content(redistributable)

Simulated FTIR trace

Predicted FTIR / %T

4 cm-1 resolution / deterministic instrument profile

Hover for cursor
4000350030002500200015001000500100500wavenumber (cm−1)transmittance (%)

Peak assignments

3350 cm−1broad O-H (simulated)
3000 cm−1broad acid O-H (simulated)
1710 cm−1C=O acid (simulated)
1645 cm−1C=C alkene (simulated)
3030 cm−1aromatic C-H (simulated)
1600 cm−1aromatic C=C (simulated)
2960 cm−1sp3 C-H (simulated)

Simulated NMR

On-demand educational prediction for Ibuprofen; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for Ibuprofen; not experimental data.

Sources

Molecule identity

Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)

simulated IR

ChemForge original educational simulation.

ChemArche Original Educational Content(redistributable)
Open source record